SCHEMBL16213450

SCHEMBL16213450

O=C(O)c1cn(C2CC2)c2nc(C(O)CO)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.52
▸ CHRM2 P08172 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ TOP2A P11388 7/20 0.48
▸ TOP2B Q02880 7/20 0.48
▸ KDM4E B2RXH2 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ DHFR P00374 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14472239 0.86 DPP4 (0.56) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9437304 0.82 TOP2A (0.58) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL5142702 0.82 DPP4 (0.58) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL10330767 0.80 TOP2A (0.59) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL10876232 0.80 DPP4 (0.59) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL500472 0.80 DPP4 (0.57) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL14143514 0.79 DPP4 (0.54) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL10413901 0.79 DPP4 (0.55) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL17537044 0.78 DPP4 (0.56) DPP4CHRM2DRD1TOP2ATOP2B
SCHEMBL9279260 0.78 DPP4 (0.55) DPP4CHRM2DRD1TOP2ATOP2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991992-B1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-25 — — EP disclosed
US-9540399-B2 Quinolone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-10 — — US disclosed
EP-2991992-A1 QUINOLONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-03-09 — — EP disclosed
US-20160060276-A1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-03 — — US disclosed
WO-2014178008-A1 QUINOLONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-11-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160060276-A1 QUINOLONE DERIVATIVES NQO2, QARS1, RECQL DPP4 1991/4885CHRM2 1273/4885DRD1 782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback